N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine

C13H16F3N5 — CID 154752787

IUPACN,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(N(C)Cc2cn(C)nc2C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5/c1-8-5-17-9(2)12(18-8)20(3)6-10-7-21(4)19-11(10)13(14,15)16/h5,7H,6H2,1-4H3
InChIKeyWEVGCJYZXJEXNL-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.48
Rot. Bonds3

About N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine

N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine (PubChem CID 154752787) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine
PubChem CID154752787
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(N(C)Cc2cn(C)nc2C(F)(F)F)n1
InChIInChI=1S/C13H16F3N5/c1-8-5-17-9(2)12(18-8)20(3)6-10-7-21(4)19-11(10)13(14,15)16/h5,7H,6H2,1-4H3
InChIKeyWEVGCJYZXJEXNL-UHFFFAOYSA-N
XLogP2.48
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine (CID 154752787) is N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine is Cc1cnc(C)c(N(C)Cc2cn(C)nc2C(F)(F)F)n1.
What is the InChIKey of N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine?
The InChIKey is WEVGCJYZXJEXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-8-5-17-9(2)12(18-8)20(3)6-10-7-21(4)19-11(10)13(14,15)16/h5,7H,6H2,1-4H3.
What are the key properties of N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine?
N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine has a molecular weight of 299.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 154752787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).